CID 426972

4-formyl-1-methylpyridin-1-ium iodide

Structural Information

Molecular Formula
C7H8NO
SMILES
C[N+]1=CC=C(C=C1)C=O
InChI
InChI=1S/C7H8NO/c1-8-4-2-7(6-9)3-5-8/h2-6H,1H3/q+1
InChIKey
ANRUYQWAIMLNCS-UHFFFAOYSA-N
Compound name
1-methylpyridin-1-ium-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

414
Patents

122.06059 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06787 119.9
[M+Na]+ 145.04981 136.2
[M+NH4]+ 140.09441 130.1
[M+K]+ 161.02375 130.0
[M-H]- 121.05331 123.7
[M+Na-2H]- 143.03526 129.2
[M]+ 122.06004 123.7
[M]- 122.06114 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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